Piperidino-ohton hydrochloride

Base Information

• Chemical Name: Piperidino-ohton hydrochloride
• CAS No.: 656-96-2
• Molecular Formula: C8H5 Cl F3 N O
• Molecular Weight: 223.582
• DSSTox Substance ID: DTXSID80276160,DTXSID20982016
• Mol file: 656-96-2.mol

Synonyms:Piperidino-ohton hydrochloride;1,1-Bis(2-thienyl)-3-piperidino-1-butene hydrochloride;3-Piperidino-1,1-di(2-thienyl)but-1-ene hydrochloride;DTXSID20982016;DTXSID80276160;1-Butene, 1,1-bis(2-thienyl)-3-piperidino-, hydrochloride;3-(Piperid-1-yl)-1,1-di-(2'-thienyl)-but-1-ene hydrochloride;1-(3,3-Di-2-thienyl-1-methyl-2-propenyl)piperidine hydrochloride;Piperidine, 1-((3,3-di-2-thienyl-1-methyl)allyl)-, hydrochloride;Piperidine, 1-(1-methyl-3,3-di-2-thienyl-2-propenyl)-, hydrochloride;2-[4,4-di(thiophen-2-yl)but-3-en-2-yl]pyridine hydrochloride (1:1)

Chemical Property of Piperidino-ohton hydrochloride

Chemical Property:

• Vapor Pressure: 0.00031mmHg at 25°C
• Boiling Point: 320.8°Cat760mmHg
• Flash Point: 147.8°C
• Density: 1.474g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 333.0412696
• Heavy Atom Count: 21
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=C(C1=CC=CS1)C2=CC=CS2)C3=CC=CC=N3.Cl

Technology Process of Piperidino-ohton hydrochloride

There total 5 articles about Piperidino-ohton hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 40.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → 4-chloro-3-(trifluoromethyl)phenylamino aldehyde (656-96-2)

Guidance literature:

With hydrogenchloride; In water; at 130 ℃; for 2h; Sealed tube; Green chemistry;

DOI:10.1080/00397911.2021.1989597

Reference yield:

formic acid (64-18-6) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → 4-chloro-3-(trifluoromethyl)phenylamino aldehyde (656-96-2)

Guidance literature:

With zinc(II) oxide; at 70 ℃; for 10h;

DOI:10.5012/bkcs.2011.32.4.1209

Reference yield:

1,4-dichloro-2-trifluoromethylbenzene (320-50-3) → 4-chloro-3-(trifluoromethyl)phenylamino aldehyde (656-96-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate; pyridine / ethyl acetate; dichloromethane / 4 h / 130 °C / Autoclave

2: Raney nickel / methanol / 1 h / Reflux

3: ethanol / 4 h / 80 °C

With pyridine; hydrazine hydrate; In methanol; ethanol; dichloromethane; ethyl acetate;

upstream raw materials:

formic acid

4-chloro-3-trifluoromethyl-aniline

1,4-dichloro-2-trifluoromethylbenzene

4-chloro-3-(trifluoromethyl)phenylhydrazine

Downstream raw materials:

(2-(4-chloro-3-trifluoromethylphenylamino)pyrimidin-4-yl)(pyridin-3-yl)methanone

C₁₈H₁₀ClF₃N₄O₂

sorafenib

Refernces

• 1、 -. "The preparation method of the zola non-nepal (by machine translation)". Paragraph 0012-0014. . Retrieved 2018/04/28.